SpectraBase Spectrum ID |
KXNANUMrjVK |
Name |
1-(3,4-Dimethoxyphenyl)piperazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.136827826 u |
Formula |
C12H18N2O2 |
InChI |
InChI=1S/C12H18N2O2/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3 |
InChIKey |
XYJCQRIUCCQSKC-UHFFFAOYSA-N |
Molecular Weight |
222.288 g/mol |
SMILES |
C1(=C(C=CC(=C1)N1CCNCC1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974297 |